› 4x6s

X-ray diffraction
2.55Å resolution

Grb7 SH2 domain with phosphotyrosine mimetic inhibitor peptide

Released:
DOI: 10.2210/pdb4x6s/pdb
PDB entry 4x6s coloured by chain, front view.
PDB entry 4x6s coloured by chain, side view.
PDB entry 4x6s coloured by chain, top view.
Source organisms:
Primary publication:
Cyclic Peptides Incorporating Phosphotyrosine Mimetics as Potent and Specific Inhibitors of the Grb7 Breast Cancer Target.
Watson GM, Gunzburg MJ, Ambaye ND, Lucas WA, Traore DA, Kulkarni K, Cergol KM, Payne RJ, Panjikar S, Pero SC, Perlmutter P, Wilce MC, Wilce JA
J Med Chem 58 7707-18 (2015)
PMID: 26359549

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-165348 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Growth factor receptor-bound protein 7 Chains: A, B
Molecule details ›
Chains: A, B
Length: 107 amino acids
Theoretical weight: 12.56 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q14451 (Residues: 423-529; Coverage: 20%)
Gene name: GRB7
Sequence domains: SH2 domain
Structure domains: SH2 domain
Phosphotyrosine mimetic inhibitor peptide G7-TEM1 Chains: L, M
Molecule details ›
Chains: L, M
Length: 11 amino acids
Theoretical weight: 1.48 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand 1PA 2 x 1PA

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P212121
Unit cell:
a: 55.48Å b: 68.895Å c: 77.038Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.202 0.252
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

8 citation in other articles

Unexpected involvement of staple leads to redesign of selective bicyclic peptide inhibitor of Grb7.
Gunzburg et al. (2016)
7 more

1 mention without citation

Insight into the Selectivity of the G7-18NATE Inhibitor Peptide for the Grb7-SH2 Domain Target.
Watson et al. (2017)